1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane

C24H44 — CID 19070157

IUPAC1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
SMILESC=CCCC1CCC(CCCCC2CCC(CCCC)CC2)CC1
InChIInChI=1S/C24H44/c1-3-5-9-21-13-17-23(18-14-21)11-7-8-12-24-19-15-22(16-20-24)10-6-4-2/h3,21-24H,1,4-20H2,2H3
InChIKeyRQDWOQQDWCJSQO-UHFFFAOYSA-N
MW332.62 g/mol
LogP8.32
Rot. Bonds11

About 1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane

1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane (PubChem CID 19070157) has the molecular formula C24H44 and a molecular weight of 332.62 g/mol. Its IUPAC name is 1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane.

Molecular Properties

Compound Name1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
PubChem CID19070157
Molecular FormulaC24H44
Molecular Weight332.62 g/mol
Exact Mass332.34
IUPAC Name1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
SMILESC=CCCC1CCC(CCCCC2CCC(CCCC)CC2)CC1
InChIInChI=1S/C24H44/c1-3-5-9-21-13-17-23(18-14-21)11-7-8-12-24-19-15-22(16-20-24)10-6-4-2/h3,21-24H,1,4-20H2,2H3
InChIKeyRQDWOQQDWCJSQO-UHFFFAOYSA-N
XLogP8.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.62
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane
CID 22886257
hexane;pentylcyclopropane
CID 159592467
1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane
CID 53487174
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
CID 20683482
1-ethenyl-4-[(E)-4-(4-nonylcyclohexyl)but-1-enyl]cyclohexane
CID 19070167
tetradecane;undecylcyclopropane
CID 173215670
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
1-but-3-enyl-4-(4-pentoxycyclohexyl)cyclohexane
CID 19380422
1-but-3-enyl-4-[2-(4-hex-1-enoxycyclohexyl)ethyl]cyclohexane
CID 67863865
1-but-3-enyl-4-pent-1-enylcyclohexane
CID 123985466

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane?
The IUPAC name of 1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane (CID 19070157) is 1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane.
What is the SMILES notation for 1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane?
The canonical SMILES for 1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane is C=CCCC1CCC(CCCCC2CCC(CCCC)CC2)CC1.
What is the InChIKey of 1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane?
The InChIKey is RQDWOQQDWCJSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44/c1-3-5-9-21-13-17-23(18-14-21)11-7-8-12-24-19-15-22(16-20-24)10-6-4-2/h3,21-24H,1,4-20H2,2H3.
What are the key properties of 1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane?
1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane has a molecular weight of 332.62 g/mol, XLogP of 8.32, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane is sourced from PubChem (CID 19070157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).